1-[(1S)-1-pyridin-3-ylpropyl]piperazine

C12H19N3 — CID 92764058

IUPAC1-[(1S)-1-pyridin-3-ylpropyl]piperazine
SMILESCC[C@@H](c1cccnc1)N1CCNCC1
InChIInChI=1S/C12H19N3/c1-2-12(11-4-3-5-14-10-11)15-8-6-13-7-9-15/h3-5,10,12-13H,2,6-9H2,1H3/t12-/m0/s1
InChIKeyHIVRJCCAJRSVHX-LBPRGKRZSA-N
MW205.31 g/mol
LogP1.44
Rot. Bonds3

About 1-[(1S)-1-pyridin-3-ylpropyl]piperazine

1-[(1S)-1-pyridin-3-ylpropyl]piperazine (PubChem CID 92764058) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 1-[(1S)-1-pyridin-3-ylpropyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-pyridin-3-ylpropyl]piperazine
PubChem CID92764058
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name1-[(1S)-1-pyridin-3-ylpropyl]piperazine
SMILESCC[C@@H](c1cccnc1)N1CCNCC1
InChIInChI=1S/C12H19N3/c1-2-12(11-4-3-5-14-10-11)15-8-6-13-7-9-15/h3-5,10,12-13H,2,6-9H2,1H3/t12-/m0/s1
InChIKeyHIVRJCCAJRSVHX-LBPRGKRZSA-N
XLogP1.44
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-pyridin-3-ylpentyl]piperazine
CID 171308841
1-[(1R)-2-cyclopropyl-1-pyridin-3-ylethyl]piperazine
CID 171287680
1-[(1S)-2-cyclopropyl-1-pyridin-3-ylethyl]piperazine;dihydrochloride
CID 171275053
1-[(1R)-1-phenylpropyl]piperazine;dihydrochloride
CID 171295514
1-(2-piperazin-1-yl-1-pyridin-3-ylethyl)azepane
CID 82201767
1-(2-piperazin-1-yl-2-pyridin-3-ylethyl)piperidin-4-ol
CID 83978977
3-(1-piperidin-4-ylpropyl)pyridine
CID 83908701
1-(1-pyridin-4-ylpropyl)-1,4-diazepane
CID 3349010
1-[(1S)-2,2-dimethyl-1-pyridin-3-ylpropyl]piperazine;dihydrochloride
CID 171275055
1-piperazin-1-yl-1-pyridin-3-ylpropan-2-ol
CID 82286657
1-[(3-ethoxyphenyl)-pyridin-3-ylmethyl]piperazine
CID 4320420
(2S)-2-piperazin-1-yl-2-pyridin-3-ylacetic acid
CID 93409129

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-pyridin-3-ylpropyl]piperazine?
The IUPAC name of 1-[(1S)-1-pyridin-3-ylpropyl]piperazine (CID 92764058) is 1-[(1S)-1-pyridin-3-ylpropyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-pyridin-3-ylpropyl]piperazine?
The canonical SMILES for 1-[(1S)-1-pyridin-3-ylpropyl]piperazine is CC[C@@H](c1cccnc1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-pyridin-3-ylpropyl]piperazine?
The InChIKey is HIVRJCCAJRSVHX-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H19N3/c1-2-12(11-4-3-5-14-10-11)15-8-6-13-7-9-15/h3-5,10,12-13H,2,6-9H2,1H3/t12-/m0/s1.
What are the key properties of 1-[(1S)-1-pyridin-3-ylpropyl]piperazine?
1-[(1S)-1-pyridin-3-ylpropyl]piperazine has a molecular weight of 205.31 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-pyridin-3-ylpropyl]piperazine is sourced from PubChem (CID 92764058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).